SCHEMBL5204415

SCHEMBL5204415

COc1ccc(Br)c(C=C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
STS P08842 2/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRM5 P41594 1/20 0.41
ESR2 Q92731 1/20 0.41
ABCB1 P08183 1/20 0.41
NR1H2 P55055 1/20 0.40
BACE1 P56817 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5215913 0.84 ALDH1A1 (0.46) ALDH1A1STSMAPTKDM4EEPHX2
SCHEMBL15699606 0.82 ALDH1A1 (0.54) ALDH1A1STSMAPTKDM4EHTT
SCHEMBL6382839 0.82 GRM5 (0.47) KDM4EGPR119GRM5ESR2NR1H2
SCHEMBL3577423 0.80 MAPT (0.46) ALDH1A1STSMAPTKDM4EHTT
SCHEMBL6396022 0.80 ABCB1 (0.48) ALDH1A1STSMAPTKDM4EGPR119
SCHEMBL12128813 0.79 ABCB1 (0.43) ALDH1A1STSMAPTKDM4EEPHX2
SCHEMBL28677303 0.78 ABCB1 (0.48) ALDH1A1STSMAPTKDM4EHTT
SCHEMBL7497291 0.78 GRM5 (0.44) MAPTKDM4EGPR119MEN1KMT2A
SCHEMBL7497285 0.78 GRM5 (0.44) MAPTKDM4EGPR119MEN1KMT2A
SCHEMBL28671801 0.77 ABCB1 (0.48) ALDH1A1STSMAPTKDM4EEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304324-B1 SEROTONIN REUPTAKE INHIBITORS DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-03 EP disclosed
US-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed
US-6787560-B2 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-09-07 US disclosed
US-20030191126-A1 Psychological disorders; antidepressants SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-10-09 US disclosed
EP-1304324-A1 SEROTONIN REUPTAKE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030191126-A1 Psychological disorders; antidepressants CRH, HTR2C, HTR1A ALDH1A1 2672/4885STS 542/4885MAPT 1516/4885
US-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 ALDH1A1 828/4885STS 676/4885MAPT 1010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.